3-methoxybenzoic acid; (3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: 3-methoxybenzoic acid; (3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: 3-methoxybenzoic acid; (3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: 3-methoxybenzoic acid; (3-methoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 3-methoxybenzoic acid; (3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: m-anisic acid; (3-methoxyphenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C26H27N3O7 MolecularWeight: 493.50848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-].COC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-].COC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C18H19N3O4.C8H8O3/c1-25-17-4-2-3-14(13-17)18(22)20-11-9-19(10-12-20)15-5-7-16(8-6-15)21(23)24;1-11-7-4-2-3-6(5-7)8(9)10/h2-8,13H,9-12H2,1H3;2-5H,1H3,(H,9,10)