(4-aminocarbonyl-2-nitro-phenyl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-12(2)23-20(27)22-10-13-3-5-14(6-4-13)19(26)30-11-16-8-7-15(18(21)25)9-17(16)24(28)29/h3-9,12H,10-11H2,1-2H3,(H2,21,25)(H2,22,23,27)