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

Systemtic Name: ethyl 3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[cyclopropyl-[(4-isopropylphenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[cyclopropyl-(4-isopropylbenzyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)C(C)C)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)C(C)C)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5/c1-4-30-23(27)19-11-18(12-21(13-19)25(28)29)22(26)24(20-9-10-20)14-16-5-7-17(8-6-16)15(2)3/h5-8,11-13,15,20H,4,9-10,14H2,1-3H3