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

Systemtic Name: 1-oxidanylidene-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylic acid Openeye Name: 1-oxo-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylic acid CAS Name: 1-oxo-2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4-isoquinolinecarboxylic acid IUPAC Name: 1-oxo-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylic acid Traditional Name: 1-keto-2-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]isoquinoline-4-carboxylic acid Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)NC=C3C=CC(=O)C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)NC=C3C=CC(=O)C=C3)C(=O)O

InChI

InChI=1S/C17H12N2O4/c20-12-7-5-11(6-8-12)9-18-19-10-15(17(22)23)13-3-1-2-4-14(13)16(19)21/h1-10,18H,(H,22,23)