methyl 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(chroman-4-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(3,4-dihydro-2H-1-benzopyran-4-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(chroman-4-ylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCOC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCOC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-25-18(22)12-8-11(9-13(10-12)20(23)24)17(21)19-15-6-7-26-16-5-3-2-4-14(15)16/h2-5,8-10,15H,6-7H2,1H3,(H,19,21)