[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [(2S)-1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-])C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)OC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-])C5=CC=CC=C51

InChI

InChI=1S/C30H32N4O5/c1-4-33-25-8-6-5-7-23(25)24-18-22(10-12-26(24)33)31-29(35)20(3)39-30(36)21-9-11-27(28(17-21)34(37)38)32-15-13-19(2)14-16-32/h5-12,17-20H,4,13-16H2,1-3H3,(H,31,35)/t20-/m0/s1