N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)[N+](=O)[O-]

InChI

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