methyl 1-oxidanylidene-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylic acid methyl ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC=C3C=CC(=O)C=C3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC=C3C=CC(=O)C=C3

InChI

InChI=1S/C18H14N2O4/c1-24-18(23)16-11-20(17(22)15-5-3-2-4-14(15)16)19-10-12-6-8-13(21)9-7-12/h2-11,19H,1H3