(5-aminocarbonyl-2-nitro-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (5-aminocarbonyl-2-nitro-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (5-carbamoyl-2-nitro-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (5-carbamoyl-2-nitrophenyl) ester IUPAC Name: (5-carbamoyl-2-nitrophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (5-carbamoyl-2-nitro-phenyl) ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c1-10(2)17(23)20-13-6-3-11(4-7-13)18(24)27-15-9-12(16(19)22)5-8-14(15)21(25)26/h3-10H,1-2H3,(H2,19,22)(H,20,23)