N-(3-methoxypropyl)-5-[(4-nitrophenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-methoxypropyl)-5-[(4-nitrophenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methoxypropyl)-5-[(4-nitrophenyl)carbamoylamino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3-methoxypropyl)-5-[[(4-nitroanilino)-oxomethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methoxypropyl)-5-[(4-nitrophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-methoxypropyl)-5-[(4-nitrophenyl)carbamoylamino]-2-pyrrolidino-benzamide Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C22H27N5O5/c1-32-14-4-11-23-21(28)19-15-17(7-10-20(19)26-12-2-3-13-26)25-22(29)24-16-5-8-18(9-6-16)27(30)31/h5-10,15H,2-4,11-14H2,1H3,(H,23,28)(H2,24,25,29)