3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitro-ethenyl]benzoic acid

Systemtic Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitro-ethenyl]benzoic acid Openeye Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitro-vinyl]benzoic acid CAS Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitroethenyl]benzoic acid IUPAC Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitroethenyl]benzoic acid Traditional Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitro-vinyl]benzoic acid Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C=C(C2=CC=CN=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)/C=C(\C2=CC=CN=CN2)/[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4/c18-14(19)11-4-1-3-10(7-11)8-13(17(20)21)12-5-2-6-15-9-16-12/h1-9H,(H,15,16)(H,18,19)/b13-8+