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

Systemtic Name: 3-[7-chloranyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[7-chloro-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoic acid CAS Name: 3-[7-chloro-2-oxo-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[7-chloro-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[7-chloro-2-keto-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propionic acid Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C3=C(C=CC(=C3)Cl)NC(=O)C(N2)CCC(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2C3=C(C=CC(=C3)Cl)NC(=O)C(N2)CCC(=O)O

InChI

InChI=1S/C18H15ClN2O4/c19-11-3-6-14-13(9-11)17(10-1-4-12(22)5-2-10)20-15(18(25)21-14)7-8-16(23)24/h1-6,9,15,20H,7-8H2,(H,21,25)(H,23,24)