methyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-1-(3-nitrophenyl)naphthalene-2-carboxylate

Systemtic Name: methyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-1-(3-nitrophenyl)naphthalene-2-carboxylate Openeye Name: methyl 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6,7-dimethoxy-1-(3-nitrophenyl)naphthalene-2-carboxylate CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-1-(3-nitrophenyl)-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6,7-dimethoxy-1-(3-nitrophenyl)naphthalene-2-carboxylate Traditional Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6,7-dimethoxy-1-(3-nitrophenyl)naphthalene-2-carboxylic acid methyl ester Formula: C27H29N3O8 MolecularWeight: 523.53446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C(=O)N4CCN(CC4)CCO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C(=O)N4CCN(CC4)CCO

InChI

InChI=1S/C27H29N3O8/c1-36-22-15-18-14-21(26(32)29-9-7-28(8-10-29)11-12-31)25(27(33)38-3)24(20(18)16-23(22)37-2)17-5-4-6-19(13-17)30(34)35/h4-6,13-16,31H,7-12H2,1-3H3