3-[4-[(4-nitrophenyl)amino]butanoylamino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[4-[(4-nitrophenyl)amino]butanoylamino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[4-(4-nitroanilino)butanoylamino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[4-(4-nitroanilino)-1-oxobutyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[4-(4-nitroanilino)butanoylamino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[4-(4-nitroanilino)butanoylamino]-4-pyrrolidino-benzamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c22-21(28)15-5-10-19(25-12-1-2-13-25)18(14-15)24-20(27)4-3-11-23-16-6-8-17(9-7-16)26(29)30/h5-10,14,23H,1-4,11-13H2,(H2,22,28)(H,24,27)