[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c21-17(19-15-8-9-25-16-7-2-1-6-14(15)16)11-26-18(22)12-4-3-5-13(10-12)20(23)24/h1-7,10,15H,8-9,11H2,(H,19,21)