3-[7-chloranyl-1-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-1-ethyl-2-keto-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]propionic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CCC(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CCC(=O)O

InChI

InChI=1S/C20H19ClN2O4/c1-2-23-17-9-5-13(21)11-15(17)19(12-3-6-14(24)7-4-12)22-16(20(23)27)8-10-18(25)26/h3-7,9,11,16,22H,2,8,10H2,1H3,(H,25,26)