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

Systemtic Name: ethyl 4-[bis(prop-2-enyl)amino]-3,5-dinitro-benzoate Openeye Name: ethyl 4-(diallylamino)-3,5-dinitro-benzoate CAS Name: 4-[bis(prop-2-enyl)amino]-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[bis(prop-2-enyl)amino]-3,5-dinitrobenzoate Traditional Name: 4-(diallylamino)-3,5-dinitro-benzoic acid ethyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-4-7-16(8-5-2)14-12(17(20)21)9-11(15(19)24-6-3)10-13(14)18(22)23/h4-5,9-10H,1-2,6-8H2,3H3