[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[ethyl(2-methylallyl)amino]-2-keto-ethyl] ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5/c1-5-18(9-11(2)3)15(20)10-24-16(21)12-6-7-13(17-4)14(8-12)19(22)23/h6-8,17H,2,5,9-10H2,1,3-4H3