methyl 3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[cyclopropyl-[(4-isopropylphenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[cyclopropyl-(4-isopropylbenzyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H24N2O5/c1-14(2)16-6-4-15(5-7-16)13-23(19-8-9-19)21(25)17-10-18(22(26)29-3)12-20(11-17)24(27)28/h4-7,10-12,14,19H,8-9,13H2,1-3H3