2-[8-chloranyl-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[8-chloranyl-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]acetic acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C=CC(=C3)Cl)C(=NC(C2=O)CC(=O)O)C4=CC(=CC=C4)O

Isomeric SMILES

C1CC1CN2C3=C(C=CC(=C3)Cl)C(=NC(C2=O)CC(=O)O)C4=CC(=CC=C4)O

InChI

InChI=1S/C21H19ClN2O4/c22-14-6-7-16-18(9-14)24(11-12-4-5-12)21(28)17(10-19(26)27)23-20(16)13-2-1-3-15(25)8-13/h1-3,6-9,12,17,25H,4-5,10-11H2,(H,26,27)