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

Systemtic Name: ethyl 3-nitro-5-[[4-(propan-2-ylcarbamoylamino)phenyl]carbamoyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-nitro-5-[[4-(propan-2-ylcarbamoylamino)phenyl]carbamoyl]benzoate Traditional Name: 3-[[4-(isopropylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-4-30-19(26)14-9-13(10-17(11-14)24(28)29)18(25)22-15-5-7-16(8-6-15)23-20(27)21-12(2)3/h5-12H,4H2,1-3H3,(H,22,25)(H2,21,23,27)