4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]prop-1-enyl]benzoic acid Formula: C19H13N3O7 MolecularWeight: 395.32242

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C19H13N3O7/c20-10-13(7-11-1-3-12(4-2-11)19(24)25)18(23)21-14-8-16-17(29-6-5-28-16)9-15(14)22(26)27/h1-4,7-9H,5-6H2,(H,21,23)(H,24,25)/b13-7+