2-[[7-nitro-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-nitro-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-benzyl-2-hydroxy-7-nitro-4-oxo-quinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2-hydroxy-7-nitro-4-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-benzyl-2-hydroxy-7-nitro-4-oxoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-benzyl-2-hydroxy-4-keto-7-nitro-quinoline-3-carbonyl)amino]acetic acid Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)C(=C2O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)C(=C2O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H15N3O7/c23-15(24)9-20-18(26)16-17(25)13-7-6-12(22(28)29)8-14(13)21(19(16)27)10-11-4-2-1-3-5-11/h1-8,27H,9-10H2,(H,20,26)(H,23,24)