ethyl 2-[7-chloranyl-1-(3-methyl-4-nitro-phenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-1-(3-methyl-4-nitro-phenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-(3-methyl-4-nitro-benzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(3-methyl-4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-(3-methyl-4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[7-chloro-4-keto-1-(3-methyl-4-nitro-benzoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20ClN3O6/c1-3-31-20(27)12-24-18-11-15(22)5-7-17(18)23(9-8-19(24)26)21(28)14-4-6-16(25(29)30)13(2)10-14/h4-7,10-11H,3,8-9,12H2,1-2H3