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

Systemtic Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitro-ethenyl]benzoate Openeye Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitro-vinyl]benzoate CAS Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitroethenyl]benzoate IUPAC Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitroethenyl]benzoate Traditional Name: 3-[(E)-2-(1H-1,3-diazepin-7-yl)-2-nitro-vinyl]benzoate Formula: C14H10N3O4- MolecularWeight: 284.2469

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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)/p-1/b13-8+