methyl 3-[(3-methyl-1-phenyl-butyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(3-methyl-1-phenyl-butyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3-methyl-1-phenyl-butyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-1-phenylbutyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-methyl-1-phenyl-butyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H22N2O5/c1-13(2)9-18(14-7-5-4-6-8-14)21-19(23)15-10-16(20(24)27-3)12-17(11-15)22(25)26/h4-8,10-13,18H,9H2,1-3H3,(H,21,23)