3-ethoxycarbonyl-1,2-dimethyl-4,6-dinitro-indol-5-olate

Systemtic Name: 3-ethoxycarbonyl-1,2-dimethyl-4,6-dinitro-indol-5-olate Openeye Name: 3-ethoxycarbonyl-1,2-dimethyl-4,6-dinitro-indol-5-olate CAS Name: 3-ethoxycarbonyl-1,2-dimethyl-4,6-dinitro-5-indololate IUPAC Name: 3-ethoxycarbonyl-1,2-dimethyl-4,6-dinitroindol-5-olate Traditional Name: 3-carbethoxy-1,2-dimethyl-4,6-dinitro-indol-5-olate Formula: C13H12N3O7- MolecularWeight: 322.25028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])[O-])[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])[O-])[N+](=O)[O-])C)C

InChI

InChI=1S/C13H13N3O7/c1-4-23-13(18)9-6(2)14(3)7-5-8(15(19)20)12(17)11(10(7)9)16(21)22/h5,17H,4H2,1-3H3/p-1