4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitro-benzamide CAS Name: 4-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[[3-(isobutyrylamino)benzyl]amino]-N-isopropyl-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC2=C(C=C(C=C2)C(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC2=C(C=C(C=C2)C(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-13(2)20(26)24-17-7-5-6-15(10-17)12-22-18-9-8-16(11-19(18)25(28)29)21(27)23-14(3)4/h5-11,13-14,22H,12H2,1-4H3,(H,23,27)(H,24,26)