methyl 3-nitro-5-[[4-(propan-2-ylcarbamoylamino)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-(propan-2-ylcarbamoylamino)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-[[4-(isopropylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[[oxo-(propan-2-ylamino)methyl]amino]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(propan-2-ylcarbamoylamino)phenyl]carbamoyl]benzoate Traditional Name: 3-[[4-(isopropylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20N4O6/c1-11(2)20-19(26)22-15-6-4-14(5-7-15)21-17(24)12-8-13(18(25)29-3)10-16(9-12)23(27)28/h4-11H,1-3H3,(H,21,24)(H2,20,22,26)