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

Systemtic Name: 2-[3-(3-azanyl-3-oxidanylidene-propyl)-8-chloranyl-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(3-amino-3-oxo-propyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[3-(3-amino-3-oxopropyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[3-(3-amino-3-oxopropyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(3-amino-3-keto-propyl)-8-chloro-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC(=O)O)CCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC(=O)O)CCC(=O)N

InChI

InChI=1S/C20H18ClN3O5/c21-12-4-5-14-16(9-12)24(10-18(27)28)20(29)15(6-7-17(22)26)23-19(14)11-2-1-3-13(25)8-11/h1-5,8-9,15,25H,6-7,10H2,(H2,22,26)(H,27,28)