(Z)-4-(1-methylindol-3-yl)-3-nitro-but-3-en-2-one

Systemtic Name: (Z)-4-(1-methylindol-3-yl)-3-nitro-but-3-en-2-one Openeye Name: (Z)-4-(1-methylindol-3-yl)-3-nitro-but-3-en-2-one CAS Name: (Z)-4-(1-methyl-3-indolyl)-3-nitro-3-buten-2-one IUPAC Name: (Z)-4-(1-methylindol-3-yl)-3-nitrobut-3-en-2-one Traditional Name: (Z)-4-(1-methylindol-3-yl)-3-nitro-but-3-en-2-one Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CN(C2=CC=CC=C21)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c1-9(16)13(15(17)18)7-10-8-14(2)12-6-4-3-5-11(10)12/h3-8H,1-2H3/b13-7-