4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2,3-dihydro-1H-1,4-diazepine-7-carboxylic acid

Systemtic Name: 4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2,3-dihydro-1H-1,4-diazepine-7-carboxylic acid Openeye Name: 4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,3-dihydro-1H-1,4-diazepine-7-carboxylic acid CAS Name: 4-methyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2,3-dihydro-1H-1,4-diazepine-7-carboxylic acid IUPAC Name: 4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,3-dihydro-1H-1,4-diazepine-7-carboxylic acid Traditional Name: 5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-methyl-2,3-dihydro-1H-1,4-diazepine-7-carboxylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(=CC1=C2C=CC=CC2=O)C(=O)O

Isomeric SMILES

CN1CCNC(=CC1=C2C=CC=CC2=O)C(=O)O

InChI

InChI=1S/C13H14N2O3/c1-15-7-6-14-10(13(17)18)8-11(15)9-4-2-3-5-12(9)16/h2-5,8,14H,6-7H2,1H3,(H,17,18)