methyl 4-methyl-3-(1-methylindol-3-yl)-2-nitro-pent-4-enoate

Systemtic Name: methyl 4-methyl-3-(1-methylindol-3-yl)-2-nitro-pent-4-enoate Openeye Name: methyl 4-methyl-3-(1-methylindol-3-yl)-2-nitro-pent-4-enoate CAS Name: 4-methyl-3-(1-methyl-3-indolyl)-2-nitro-4-pentenoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(1-methylindol-3-yl)-2-nitropent-4-enoate Traditional Name: 4-methyl-3-(1-methylindol-3-yl)-2-nitro-pent-4-enoic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-10(2)14(15(18(20)21)16(19)22-4)12-9-17(3)13-8-6-5-7-11(12)13/h5-9,14-15H,1H2,2-4H3