ethyl 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylate

Systemtic Name: ethyl 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 5-[allyl(methylsulfonyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylate CAS Name: 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylate Traditional Name: 5-[allyl(mesyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylic acid ethyl ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC(=C2N1)OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC(=C2N1)OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O7S/c1-6-8-19(28(5,24)25)11-9-12(26-4)15-13(16(11)20(22)23)10(3)14(18-15)17(21)27-7-2/h6,9,18H,1,7-8H2,2-5H3