[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-13(2)23-21(27)22-11-15-5-8-16(9-6-15)20(26)30-12-19(25)17-7-4-14(3)18(10-17)24(28)29/h4-10,13H,11-12H2,1-3H3,(H2,22,23,27)