4-(cyclopropylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[5-(isobutyrylamino)-2-methyl-phenyl]-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-12(2)20(26)23-16-6-4-13(3)18(11-16)24-21(27)14-5-9-17(22-15-7-8-15)19(10-14)25(28)29/h4-6,9-12,15,22H,7-8H2,1-3H3,(H,23,26)(H,24,27)