N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-(3-nitrophenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-(3-nitrophenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methylphenyl)-oxomethyl]-3-[(3-nitrophenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-m-toluoyl-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5/c1-14-4-2-5-15(12-14)20(28)24-10-11-25(19(24)18(27)23-9-8-22)21(29)16-6-3-7-17(13-16)26(30)31/h2-7,12-13,19H,8-11,22H2,1H3,(H,23,27)