[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O5/c22-18-12-11-15(13-19(18)24(27)28)21(26)29-14-20(25)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-13,16-17H,1-10,14,22H2