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

Systemtic Name: 3-[7-chloranyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Openeye Name: 3-[1-benzyl-7-chloro-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-2-oxo-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid IUPAC Name: 3-[1-benzyl-7-chloro-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic acid Traditional Name: 3-[1-benzyl-7-chloro-2-keto-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)NC(C2=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C4C=CC(=O)C=C4)NC(C2=O)CCC(=O)O

InChI

InChI=1S/C25H21ClN2O4/c26-18-8-12-22-20(14-18)24(17-6-9-19(29)10-7-17)27-21(11-13-23(30)31)25(32)28(22)15-16-4-2-1-3-5-16/h1-10,12,14,21,27H,11,13,15H2,(H,30,31)