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

Systemtic Name: methyl 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)N=CC=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5/c1-28-20(25)17-13-22(19(24)16-10-4-3-9-15(16)17)21-12-6-8-14-7-2-5-11-18(14)23(26)27/h2-13H,1H3/b8-6+,21-12+