2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 1-keto-2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]isoquinoline-4-carboxylic acid Formula: C19H13N3O5 MolecularWeight: 363.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC=NN2C=C(C3=CC=CC=C3C2=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C=N/N2C=C(C3=CC=CC=C3C2=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O5/c23-18-15-9-3-2-8-14(15)16(19(24)25)12-21(18)20-11-5-7-13-6-1-4-10-17(13)22(26)27/h1-12H,(H,24,25)/b7-5+,20-11+