[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)-8-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-5-yl]-oxidanidyl-azanium

Systemtic Name: [2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)-8-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-5-yl]-oxidanidyl-azanium Openeye Name: [2-(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)-8-nitro-1,3-dioxo-benzo[de]isoquinolin-5-yl]-oxido-ammonium CAS Name: [2-(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)-8-nitro-1,3-dioxo-5-benzo[de]isoquinolinyl]-oxidoammonium IUPAC Name: [2-(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)-8-nitro-1,3-dioxobenzo[de]isoquinolin-5-yl]-oxidoazanium Traditional Name: [2-(5-carbethoxy-3-cyano-4-methyl-2-thienyl)-1,3-diketo-8-nitro-benzo[de]isoquinolin-5-yl]-oxido-ammonium Formula: C21H14N4O7S MolecularWeight: 466.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[NH2+][O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[NH2+][O-])C#N)C

InChI

InChI=1S/C21H14N4O7S/c1-3-32-21(28)17-9(2)15(8-22)20(33-17)24-18(26)13-6-11(23-29)4-10-5-12(25(30)31)7-14(16(10)13)19(24)27/h4-7H,3,23H2,1-2H3