1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-prop-2-enyl-urea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-prop-2-enyl-urea Openeye Name: 1-allyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(4-nitrophenyl)-1-prop-2-enylurea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-1-prop-2-enylurea Traditional Name: 1-allyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(4-nitrophenyl)urea Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O3/c1-2-12-26(22(28)24-19-8-10-20(11-9-19)27(29)30)16-21-7-4-13-25(21)15-17-5-3-6-18(23)14-17/h2-11,13-14H,1,12,15-16H2,(H,24,28)