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

Systemtic Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-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-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[ethyl(2-methylallyl)amino]-2-keto-ethyl] ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5/c1-4-17(8-10(2)3)14(19)9-23-15(20)11-5-6-12(16)13(7-11)18(21)22/h5-7H,2,4,8-9,16H2,1,3H3