methyl 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-[2-(3-methoxycarbonylphenyl)ethynyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-[2-(3-carbomethoxyphenyl)ethynyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H18N2O7/c1-33-24(29)18-7-3-5-16(11-18)9-10-17-6-4-8-21(12-17)26-23(28)19-13-20(25(30)34-2)15-22(14-19)27(31)32/h3-8,11-15H,1-2H3,(H,26,28)