[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C16H11N3O9 MolecularWeight: 389.27324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O9/c1-27-15-6-10(4-5-17(21)22)2-3-14(15)28-16(20)11-7-12(18(23)24)9-13(8-11)19(25)26/h2-9H,1H3/b5-4+