naphthalen-1-ylmethyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: naphthalen-1-ylmethyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: 1-naphthylmethyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid 1-naphthylmethyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O4/c27-24(30-17-20-10-7-9-18-8-3-4-11-21(18)20)19-12-13-22(23(16-19)26(28)29)25-14-5-1-2-6-15-25/h3-4,7-13,16H,1-2,5-6,14-15,17H2