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

Systemtic Name: 2-[7-chloranyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-2-oxo-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1-pentyl-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[1-amyl-7-chloro-2-keto-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC(=O)O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C22H23ClN2O4/c1-2-3-4-11-25-19-10-7-15(23)12-17(19)21(14-5-8-16(26)9-6-14)24-18(22(25)29)13-20(27)28/h5-10,12,18,24H,2-4,11,13H2,1H3,(H,27,28)