methyl 3-[furan-2-ylmethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[furan-2-ylmethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-anilino-2-oxo-ethyl)-(2-furylmethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-anilino-2-oxoethyl)-(2-furanylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-anilino-2-keto-ethyl)-(2-furfuryl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H19N3O7 MolecularWeight: 437.40216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7/c1-31-22(28)16-10-15(11-18(12-16)25(29)30)21(27)24(13-19-8-5-9-32-19)14-20(26)23-17-6-3-2-4-7-17/h2-12H,13-14H2,1H3,(H,23,26)