N-[(E)-but-2-enyl]-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-4-propoxy-aniline

Systemtic Name: N-[(E)-but-2-enyl]-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-4-propoxy-aniline Openeye Name: N-[(E)-but-2-enyl]-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-4-propoxy-aniline CAS Name: N-[(E)-but-2-enyl]-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-4-propoxyaniline IUPAC Name: N-[(E)-but-2-enyl]-N-(1,3-dioxolan-2-ylmethyl)-2,6-dinitro-4-propoxyaniline Traditional Name: [(E)-but-2-enyl]-(2,6-dinitro-4-propoxy-phenyl)-(1,3-dioxolan-2-ylmethyl)amine Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C(=C1)[N+](=O)[O-])N(CC=CC)CC2OCCO2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC(=C(C(=C1)[N+](=O)[O-])N(C/C=C/C)CC2OCCO2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7/c1-3-5-6-18(12-16-26-8-9-27-16)17-14(19(21)22)10-13(25-7-4-2)11-15(17)20(23)24/h3,5,10-11,16H,4,6-9,12H2,1-2H3/b5-3+