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

Systemtic Name: methyl 3-[[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-chloro-4-[cyano(phenyl)methyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-chloro-4-[cyano(phenyl)methyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-chloro-4-[cyano(phenyl)methyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-chloro-4-[cyano(phenyl)methyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H16ClN3O5 MolecularWeight: 449.84324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O5/c1-32-23(29)16-9-15(10-18(11-16)27(30)31)22(28)26-17-7-8-19(21(24)12-17)20(13-25)14-5-3-2-4-6-14/h2-12,20H,1H3,(H,26,28)