methyl 4-[[methyl-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[4-(isopropylcarbamoyl)-N-methyl-2-nitro-anilino]methyl]benzoate CAS Name: 4-[[N-methyl-2-nitro-4-[oxo-(propan-2-ylamino)methyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-methyl-2-nitro-4-(propan-2-ylcarbamoyl)anilino]methyl]benzoate Traditional Name: 4-[[4-(isopropylcarbamoyl)-N-methyl-2-nitro-anilino]methyl]benzoic acid methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-13(2)21-19(24)16-9-10-17(18(11-16)23(26)27)22(3)12-14-5-7-15(8-6-14)20(25)28-4/h5-11,13H,12H2,1-4H3,(H,21,24)