2-[(2-carboxycyclohexa-2,5-dien-1-yl)amino]-4-nitro-benzoic acid

Systemtic Name: 2-[(2-carboxycyclohexa-2,5-dien-1-yl)amino]-4-nitro-benzoic acid Openeye Name: 2-[(2-carboxycyclohexa-2,5-dien-1-yl)amino]-4-nitro-benzoic acid CAS Name: 2-[(2-carboxy-1-cyclohexa-2,5-dienyl)amino]-4-nitrobenzoic acid IUPAC Name: 2-[(2-carboxycyclohexa-2,5-dien-1-yl)amino]-4-nitrobenzoic acid Traditional Name: 2-[(2-carboxycyclohexa-2,5-dien-1-yl)amino]-4-nitro-benzoic acid Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C(=C1)C(=O)O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C=CC(C(=C1)C(=O)O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12N2O6/c17-13(18)9-3-1-2-4-11(9)15-12-7-8(16(21)22)5-6-10(12)14(19)20/h2-7,11,15H,1H2,(H,17,18)(H,19,20)