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

Systemtic Name: ethyl 4-[ethyl(2-methylprop-2-enyl)amino]-3,5-dinitro-benzoate Openeye Name: ethyl 4-[ethyl(2-methylallyl)amino]-3,5-dinitro-benzoate CAS Name: 4-[ethyl(2-methylprop-2-enyl)amino]-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[ethyl(2-methylprop-2-enyl)amino]-3,5-dinitrobenzoate Traditional Name: 4-[ethyl(2-methylallyl)amino]-3,5-dinitro-benzoic acid ethyl ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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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)OCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6/c1-5-16(9-10(3)4)14-12(17(20)21)7-11(15(19)24-6-2)8-13(14)18(22)23/h7-8H,3,5-6,9H2,1-2,4H3