methyl 4-[bis(prop-2-enyl)amino]-3,5-dinitro-benzoate

Systemtic Name: methyl 4-[bis(prop-2-enyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-(diallylamino)-3,5-dinitro-benzoate CAS Name: 4-[bis(prop-2-enyl)amino]-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-[bis(prop-2-enyl)amino]-3,5-dinitrobenzoate Traditional Name: 4-(diallylamino)-3,5-dinitro-benzoic acid methyl ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-4-6-15(7-5-2)13-11(16(19)20)8-10(14(18)23-3)9-12(13)17(21)22/h4-5,8-9H,1-2,6-7H2,3H3