4-[(4-azanyl-3-nitro-phenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-azanyl-3-nitro-phenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(4-amino-3-nitro-anilino)-3-nitro-benzoic acid CAS Name: 4-(4-amino-3-nitroanilino)-3-nitrobenzoic acid IUPAC Name: 4-(4-amino-3-nitroanilino)-3-nitrobenzoic acid Traditional Name: 4-(4-amino-3-nitro-anilino)-3-nitro-benzoic acid Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O6/c14-9-3-2-8(6-11(9)16(20)21)15-10-4-1-7(13(18)19)5-12(10)17(22)23/h1-6,15H,14H2,(H,18,19)