[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-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] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H23N3O7/c26-21(23-18-7-10-31-20-4-2-1-3-16(18)20)14-32-22(27)17-13-15(25(28)29)5-6-19(17)24-8-11-30-12-9-24/h1-6,13,18H,7-12,14H2,(H,23,26)