[2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-[(1-methoxycarbonyl-2-methyl-butyl)amino]-2-oxo-ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-[(1-carbomethoxy-2-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O7/c1-6-13(4)18(20(26)29-5)21-17(24)12-30-19(25)15-11-14(23(27)28)9-10-16(15)22(7-2)8-3/h9-11,13,18H,6-8,12H2,1-5H3,(H,21,24)