3-[7-chloranyl-1-methyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid

Systemtic Name: 3-[7-chloranyl-1-methyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[7-chloro-1-methyl-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[7-chloro-1-methyl-2-oxo-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[7-chloro-1-methyl-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[7-chloro-2-keto-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1-methyl-3,4-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CCC(=O)O

InChI

InChI=1S/C19H17ClN2O4/c1-22-16-8-4-12(20)10-14(16)18(11-2-5-13(23)6-3-11)21-15(19(22)26)7-9-17(24)25/h2-6,8,10,15,21H,7,9H2,1H3,(H,24,25)