N-[1-(1-methylindol-3-yl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[1-(1-methylindol-3-yl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[1-(3-hydroxypropylcarbamoyl)-2-(1-methylindol-3-yl)vinyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-(3-hydroxypropylamino)-1-(1-methyl-3-indolyl)-3-oxoprop-1-en-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-(3-hydroxypropylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[1-(3-hydroxypropylcarbamoyl)-2-(1-methylindol-3-yl)vinyl]-5-nitro-2-furamide Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C(C(=O)NCCCO)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C=C(C(=O)NCCCO)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-23-12-13(14-5-2-3-6-16(14)23)11-15(19(26)21-9-4-10-25)22-20(27)17-7-8-18(30-17)24(28)29/h2-3,5-8,11-12,25H,4,9-10H2,1H3,(H,21,26)(H,22,27)