2-[(4-azanyl-3-nitro-phenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-azanyl-3-nitro-phenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(4-amino-3-nitro-anilino)-5-nitro-benzoic acid CAS Name: 2-(4-amino-3-nitroanilino)-5-nitrobenzoic acid IUPAC Name: 2-(4-amino-3-nitroanilino)-5-nitrobenzoic acid Traditional Name: 2-(4-amino-3-nitro-anilino)-5-nitro-benzoic acid Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])N

InChI

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