ethyl 8-chloranyl-1-cyclopropyl-7-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-1-cyclopropyl-7-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[3-(tert-butoxycarbonylamino)-4,5-dimethyl-1-piperidyl]-8-chloro-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 8-chloro-1-cyclopropyl-7-[3,4-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-1-cyclopropyl-7-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[3-(tert-butoxycarbonylamino)-4,5-dimethyl-piperidino]-8-chloro-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C27H35ClN4O7 MolecularWeight: 563.0424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CC(C(C(C3)NC(=O)OC(C)(C)C)C)C)Cl)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)[N+](=O)[O-])N3CC(C(C(C3)NC(=O)OC(C)(C)C)C)C)Cl)C4CC4

InChI

InChI=1S/C27H35ClN4O7/c1-7-38-25(34)18-12-31(16-8-9-16)22-17(24(18)33)10-20(32(36)37)23(21(22)28)30-11-14(2)15(3)19(13-30)29-26(35)39-27(4,5)6/h10,12,14-16,19H,7-9,11,13H2,1-6H3,(H,29,35)