3-(aminocarbonylamino)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-methylphenyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-methylphenyl)propanamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(m-tolyl)-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(3-methylphenyl)propanamide IUPAC Name: 3-(carbamoylamino)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(3-methylphenyl)propanamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(m-tolyl)-3-ureido-propionamide Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)NC(=O)N

InChI

InChI=1S/C21H26N4O6/c1-13-5-4-6-14(9-13)16(24-21(22)27)11-20(26)23-8-7-15-10-18(30-2)19(31-3)12-17(15)25(28)29/h4-6,9-10,12,16H,7-8,11H2,1-3H3,(H,23,26)(H3,22,24,27)