1-methyl-7-nitro-3,3-bis(prop-2-ynyl)quinoline-2,4-dione

Systemtic Name: 1-methyl-7-nitro-3,3-bis(prop-2-ynyl)quinoline-2,4-dione Openeye Name: 1-methyl-7-nitro-3,3-bis(prop-2-ynyl)quinoline-2,4-dione CAS Name: 1-methyl-7-nitro-3,3-bis(prop-2-ynyl)quinoline-2,4-dione IUPAC Name: 1-methyl-7-nitro-3,3-bis(prop-2-ynyl)quinoline-2,4-dione Traditional Name: 1-methyl-7-nitro-3,3-dipropargyl-quinoline-2,4-quinone Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(C1=O)(CC#C)CC#C

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(C1=O)(CC#C)CC#C

InChI

InChI=1S/C16H12N2O4/c1-4-8-16(9-5-2)14(19)12-7-6-11(18(21)22)10-13(12)17(3)15(16)20/h1-2,6-7,10H,8-9H2,3H3