[2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[2-(dimethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[2-(dimethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-9-4-5-10(6-11(9)17(21)22)14(20)23-8-12(18)15-7-13(19)16(2)3/h4-6H,7-8H2,1-3H3,(H,15,18)