3-[(2-nitrophenyl)amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide

Systemtic Name: 3-[(2-nitrophenyl)amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide Openeye Name: 3-(2-nitroanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide CAS Name: 3-(2-nitroanilino)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)propanamide IUPAC Name: 3-(2-nitroanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide Traditional Name: 3-(2-nitroanilino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propionamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-20(10-13-22-16-6-2-3-7-17(16)24(26)27)23-15-8-9-18-19(14-15)29-21(28-18)11-4-1-5-12-21/h2-3,6-9,14,22H,1,4-5,10-13H2,(H,23,25)