methyl (E)-3-[2-(1H-indol-3-yl)ethylamino]-2-nitro-prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(1H-indol-3-yl)ethylamino]-2-nitro-prop-2-enoate Openeye Name: methyl (E)-3-[2-(1H-indol-3-yl)ethylamino]-2-nitro-prop-2-enoate CAS Name: (E)-3-[2-(1H-indol-3-yl)ethylamino]-2-nitro-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(1H-indol-3-yl)ethylamino]-2-nitroprop-2-enoate Traditional Name: (E)-3-[2-(1H-indol-3-yl)ethylamino]-2-nitro-acrylic acid methyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNCCC1=CNC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C(=C\NCCC1=CNC2=CC=CC=C21)/[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-21-14(18)13(17(19)20)9-15-7-6-10-8-16-12-5-3-2-4-11(10)12/h2-5,8-9,15-16H,6-7H2,1H3/b13-9+