ethyl N-(3,5-dinitrophenyl)-N-[(Z)-4-[(3,5-dinitrophenyl)-ethoxycarbonyl-amino]but-2-enyl]carbamate

Systemtic Name: ethyl N-(3,5-dinitrophenyl)-N-[(Z)-4-[(3,5-dinitrophenyl)-ethoxycarbonyl-amino]but-2-enyl]carbamate Openeye Name: ethyl N-(3,5-dinitrophenyl)-N-[(Z)-4-(N-ethoxycarbonyl-3,5-dinitro-anilino)but-2-enyl]carbamate CAS Name: N-(3,5-dinitrophenyl)-N-[(Z)-4-(N-ethoxycarbonyl-3,5-dinitroanilino)but-2-enyl]carbamic acid ethyl ester IUPAC Name: ethyl N-(3,5-dinitrophenyl)-N-[(Z)-4-(N-ethoxycarbonyl-3,5-dinitroanilino)but-2-enyl]carbamate Traditional Name: N-[(Z)-4-(N-carbethoxy-3,5-dinitro-anilino)but-2-enyl]-N-(3,5-dinitrophenyl)carbamic acid ethyl ester Formula: C22H22N6O12 MolecularWeight: 562.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CC=CCN(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N(C/C=C\CN(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O12/c1-3-39-21(29)23(15-9-17(25(31)32)13-18(10-15)26(33)34)7-5-6-8-24(22(30)40-4-2)16-11-19(27(35)36)14-20(12-16)28(37)38/h5-6,9-14H,3-4,7-8H2,1-2H3/b6-5-