2-[6-nitro-3-oxidanylidene-8-[(phenoxycarbonylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[6-nitro-3-oxidanylidene-8-[(phenoxycarbonylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[6-nitro-3-oxo-8-[(phenoxycarbonylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[6-nitro-3-oxo-8-[[[oxo(phenoxy)methyl]amino]methyl]-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[6-nitro-3-oxo-8-[(phenoxycarbonylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[8-[(carbophenoxyamino)methyl]-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C18H16N4O7 MolecularWeight: 400.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7/c23-15(24)8-14-17(25)21-13-7-11(22(27)28)6-10(16(13)20-14)9-19-18(26)29-12-4-2-1-3-5-12/h1-7,14,20H,8-9H2,(H,19,26)(H,21,25)(H,23,24)