4-(1,2-dihydro-1,2,3,4-tetrazol-5-ylidene)-2-ethoxy-3-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(1,2-dihydro-1,2,3,4-tetrazol-5-ylidene)-2-ethoxy-3-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-(1,2-dihydrotetrazol-5-ylidene)-2-ethoxy-3-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-(1,2-dihydrotetrazol-5-ylidene)-2-ethoxy-3-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-(1,2-dihydrotetrazol-5-ylidene)-2-ethoxy-3-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-(1,2-dihydrotetrazol-5-ylidene)-2-ethoxy-3-nitro-cyclohexa-2,5-dien-1-one Formula: C9H9N5O4 MolecularWeight: 251.19886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2NNN=N2)C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=C2NNN=N2)C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O4/c1-2-18-8-6(15)4-3-5(7(8)14(16)17)9-10-12-13-11-9/h3-4H,2H2,1H3,(H,10,13)(H,11,12)