6-[(E)-2-(4-bromophenyl)ethenyl]-3-cyano-4-(methoxymethyl)-5-nitro-pyridin-2-olate

Systemtic Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-3-cyano-4-(methoxymethyl)-5-nitro-pyridin-2-olate Openeye Name: 6-[(E)-2-(4-bromophenyl)vinyl]-3-cyano-4-(methoxymethyl)-5-nitro-pyridin-2-olate CAS Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-3-cyano-4-(methoxymethyl)-5-nitro-2-pyridinolate IUPAC Name: 6-[(E)-2-(4-bromophenyl)ethenyl]-3-cyano-4-(methoxymethyl)-5-nitropyridin-2-olate Traditional Name: 6-[(E)-2-(4-bromophenyl)vinyl]-3-cyano-4-(methoxymethyl)-5-nitro-pyridin-2-olate Formula: C16H11BrN3O4- MolecularWeight: 389.18024

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=NC(=C1[N+](=O)[O-])C=CC2=CC=C(C=C2)Br)[O-])C#N

Isomeric SMILES

COCC1=C(C(=NC(=C1[N+](=O)[O-])/C=C/C2=CC=C(C=C2)Br)[O-])C#N

InChI

InChI=1S/C16H12BrN3O4/c1-24-9-13-12(8-18)16(21)19-14(15(13)20(22)23)7-4-10-2-5-11(17)6-3-10/h2-7H,9H2,1H3,(H,19,21)/p-1/b7-4+