methyl (1R,4aS,10aR)-1,4a-dimethyl-8-nitro-6-phenylazanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aR)-1,4a-dimethyl-8-nitro-6-phenylazanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aR)-6-anilino-7-isopropyl-1,4a-dimethyl-8-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,10aR)-6-anilino-1,4a-dimethyl-8-nitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aR)-6-anilino-1,4a-dimethyl-8-nitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aR)-6-anilino-7-isopropyl-1,4a-dimethyl-8-nitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1[N+](=O)[O-])CCC3C2(CCCC3(C)C(=O)OC)C)NC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1[N+](=O)[O-])CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)NC4=CC=CC=C4

InChI

InChI=1S/C27H34N2O4/c1-17(2)23-21(28-18-10-7-6-8-11-18)16-20-19(24(23)29(31)32)12-13-22-26(20,3)14-9-15-27(22,4)25(30)33-5/h6-8,10-11,16-17,22,28H,9,12-15H2,1-5H3/t22-,26-,27-/m1/s1