methyl 4-[ethyl(2-methylprop-2-enyl)amino]-3,5-dinitro-benzoate

Systemtic Name: methyl 4-[ethyl(2-methylprop-2-enyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-[ethyl(2-methylallyl)amino]-3,5-dinitro-benzoate CAS Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-[ethyl(2-methylprop-2-enyl)amino]-3,5-dinitrobenzoate Traditional Name: 4-[ethyl(2-methylallyl)amino]-3,5-dinitro-benzoic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-5-15(8-9(2)3)13-11(16(19)20)6-10(14(18)23-4)7-12(13)17(21)22/h6-7H,2,5,8H2,1,3-4H3