methyl 3-[[3-chloranyl-4-(2-hydroxyethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-chloranyl-4-(2-hydroxyethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-chloro-4-(2-hydroxyethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-chloro-4-[(2-hydroxyethylamino)-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-chloro-4-(2-hydroxyethylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-chloro-4-(2-hydroxyethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H16ClN3O7 MolecularWeight: 421.78854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCCO)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NCCO)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O7/c1-29-18(26)11-6-10(7-13(8-11)22(27)28)16(24)21-12-2-3-14(15(19)9-12)17(25)20-4-5-23/h2-3,6-9,23H,4-5H2,1H3,(H,20,25)(H,21,24)