6-nitro-7-[(3-nitrophenyl)methylamino]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 6-nitro-7-[(3-nitrophenyl)methylamino]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-nitro-7-[(3-nitrophenyl)methylamino]-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 6-nitro-7-[(3-nitrophenyl)methylamino]-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-nitro-7-[(3-nitrophenyl)methylamino]-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-6-nitro-7-[(3-nitrobenzyl)amino]-4H-quinoxaline-2-carboxylic acid Formula: C16H11N5O7 MolecularWeight: 385.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O7/c22-15-14(16(23)24)18-10-5-12(13(21(27)28)6-11(10)19-15)17-7-8-2-1-3-9(4-8)20(25)26/h1-6,17H,7H2,(H,19,22)(H,23,24)