N-[2-[methyl(phenyl)amino]propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[methyl(phenyl)amino]propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(N-methylanilino)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(N-methylanilino)propyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(N-methylanilino)propyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(N-methylanilino)propyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])N(C)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])N(C)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-16(23(2)18-8-4-3-5-9-18)15-22-21(26)17-10-11-19(20(14-17)25(27)28)24-12-6-7-13-24/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3,(H,22,26)