4-(carboxymethylamino)-3-[dimethylamino-(4-nitrophenyl)carbonyl-amino]-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(carboxymethylamino)-3-[dimethylamino-(4-nitrophenyl)carbonyl-amino]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(carboxymethylamino)-3-[dimethylamino-(4-nitrobenzoyl)amino]-3-methyl-4-oxo-butanoic acid CAS Name: 4-(carboxymethylamino)-3-[dimethylamino-[(4-nitrophenyl)-oxomethyl]amino]-3-methyl-4-oxobutanoic acid IUPAC Name: 4-(carboxymethylamino)-3-[dimethylamino-(4-nitrobenzoyl)amino]-3-methyl-4-oxobutanoic acid Traditional Name: 4-(carboxymethylamino)-3-[dimethylamino-(4-nitrobenzoyl)amino]-4-keto-3-methyl-butyric acid Formula: C16H20N4O8 MolecularWeight: 396.352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(C(=O)NCC(=O)O)N(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC(CC(=O)O)(C(=O)NCC(=O)O)N(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C16H20N4O8/c1-16(8-12(21)22,15(26)17-9-13(23)24)19(18(2)3)14(25)10-4-6-11(7-5-10)20(27)28/h4-7H,8-9H2,1-3H3,(H,17,26)(H,21,22)(H,23,24)