methyl 3-[2-[(2-chlorophenyl)carbonylamino]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-[(2-chlorophenyl)carbonylamino]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[[(2-chlorophenyl)-oxomethyl]amino]ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCNC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O6/c1-28-18(25)12-8-11(9-13(10-12)22(26)27)16(23)20-6-7-21-17(24)14-4-2-3-5-15(14)19/h2-5,8-10H,6-7H2,1H3,(H,20,23)(H,21,24)