[1-methyl-2-(1-naphthalen-1-ylethylcarbamoyl)cyclopropyl]methyl 3,5-dinitrobenzoate

Systemtic Name: [1-methyl-2-(1-naphthalen-1-ylethylcarbamoyl)cyclopropyl]methyl 3,5-dinitrobenzoate Openeye Name: [1-methyl-2-[1-(1-naphthyl)ethylcarbamoyl]cyclopropyl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [1-methyl-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]cyclopropyl]methyl ester IUPAC Name: [1-methyl-2-(1-naphthalen-1-ylethylcarbamoyl)cyclopropyl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [1-methyl-2-[1-(1-naphthyl)ethylcarbamoyl]cyclopropyl]methyl ester Formula: C25H23N3O7 MolecularWeight: 477.46602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3CC3(C)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3CC3(C)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O7/c1-15(20-9-5-7-16-6-3-4-8-21(16)20)26-23(29)22-13-25(22,2)14-35-24(30)17-10-18(27(31)32)12-19(11-17)28(33)34/h3-12,15,22H,13-14H2,1-2H3,(H,26,29)