N-[(3R)-3-methylpent-1-yn-3-yl]-1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-[(3R)-3-methylpent-1-yn-3-yl]-1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1R)-1-ethyl-1-methyl-prop-2-ynyl]-1-nitro-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(3R)-3-methylpent-1-yn-3-yl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(3R)-3-methylpent-1-yn-3-yl]-1-nitro-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[(1R)-1-ethyl-1-methyl-prop-2-ynyl]-9,10-diketo-1-nitro-anthracene-2-carboxamide Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)NC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC[C@](C)(C#C)NC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5/c1-4-21(3,5-2)22-20(26)15-11-10-14-16(17(15)23(27)28)19(25)13-9-7-6-8-12(13)18(14)24/h1,6-11H,5H2,2-3H3,(H,22,26)/t21-/m0/s1