1-methyl-3-[2-(4-nitrophenoxy)carbonyloxypropanoylamino]-2-oxidanylidene-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid

Systemtic Name: 1-methyl-3-[2-(4-nitrophenoxy)carbonyloxypropanoylamino]-2-oxidanylidene-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Openeye Name: 1-methyl-3-[2-(4-nitrophenoxy)carbonyloxypropanoylamino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid CAS Name: 1-methyl-3-[[2-[(4-nitrophenoxy)-oxomethoxy]-1-oxopropyl]amino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid IUPAC Name: 1-methyl-3-[2-(4-nitrophenoxy)carbonyloxypropanoylamino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Traditional Name: 2-keto-1-methyl-3-[2-(4-nitrophenoxy)carbonyloxypropanoylamino]-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Formula: C21H20N4O9 MolecularWeight: 472.4049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CN(C2=CC=CC=C2N(C1=O)C)C(=O)O)OC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CN(C2=CC=CC=C2N(C1=O)C)C(=O)O)OC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O9/c1-12(33-21(30)34-14-9-7-13(8-10-14)25(31)32)18(26)22-15-11-24(20(28)29)17-6-4-3-5-16(17)23(2)19(15)27/h3-10,12,15H,11H2,1-2H3,(H,22,26)(H,28,29)