ethyl 4-[2-[(5-nitroquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-nitroquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-benzyloxy-2-[(5-nitroquinoline-2-carbonyl)amino]-5-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(5-nitro-2-quinolinyl)-oxomethyl]amino]-1,5-dioxo-5-phenylmethoxypentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-nitroquinoline-2-carbonyl)amino]-5-oxo-5-phenylmethoxypentanoyl]piperazine-1-carboxylate Traditional Name: 4-[5-benzoxy-5-keto-2-[(5-nitroquinoline-2-carbonyl)amino]pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H31N5O8 MolecularWeight: 577.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)C3=NC4=C(C=C3)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)C3=NC4=C(C=C3)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O8/c1-2-41-29(38)33-17-15-32(16-18-33)28(37)24(13-14-26(35)42-19-20-7-4-3-5-8-20)31-27(36)23-12-11-21-22(30-23)9-6-10-25(21)34(39)40/h3-12,24H,2,13-19H2,1H3,(H,31,36)