[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl] ester Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-10(8-23-4)16-14(19)9-24-15(20)11-5-6-12(17(2)3)13(7-11)18(21)22/h5-7,10H,8-9H2,1-4H3,(H,16,19)