N2-(2-azanylethyl)-N1-(3-methylphenyl)-3-(3-nitrophenyl)carbonyl-imidazolidine-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-methylphenyl)-3-(3-nitrophenyl)carbonyl-imidazolidine-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(m-tolyl)-3-(3-nitrobenzoyl)imidazolidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-methylphenyl)-3-[(3-nitrophenyl)-oxomethyl]imidazolidine-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(3-nitrobenzoyl)imidazolidine-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(m-tolyl)-3-(3-nitrobenzoyl)imidazolidine-1,2-dicarboxamide Formula: C21H24N6O5 MolecularWeight: 440.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NCCN)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O5/c1-14-4-2-6-16(12-14)24-21(30)26-11-10-25(19(26)18(28)23-9-8-22)20(29)15-5-3-7-17(13-15)27(31)32/h2-7,12-13,19H,8-11,22H2,1H3,(H,23,28)(H,24,30)