N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-prop-2-enyl-amino]ethanamide

Systemtic Name: N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-[(4-nitrophenyl)carbamoyl]amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]-2-[[(4-nitroanilino)-oxomethyl]-prop-2-enylamino]acetamide IUPAC Name: N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[(4-nitrophenyl)carbamoyl]amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4/c1-5-12-25(22(29)23-18-8-10-19(11-9-18)27(30)31)16-21(28)26(14-17(2)3)15-20-7-6-13-24(20)4/h5-11,13,17H,1,12,14-16H2,2-4H3,(H,23,29)