5-methyl-2-propan-2-yl-cyclohexan-1-amine; (E)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 5-methyl-2-propan-2-yl-cyclohexan-1-amine; (E)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 2-isopropyl-5-methyl-cyclohexanamine; (E)-4-(4-nitroanilino)-4-oxo-but-2-enoic acid CAS Name: 5-methyl-2-propan-2-yl-1-cyclohexanamine; (E)-4-(4-nitroanilino)-4-oxo-2-butenoic acid IUPAC Name: 5-methyl-2-propan-2-ylcyclohexan-1-amine; (E)-4-(4-nitroanilino)-4-oxobut-2-enoic acid Traditional Name: (2-isopropyl-5-methyl-cyclohexyl)amine; (E)-4-keto-4-(4-nitroanilino)but-2-enoic acid Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N)C(C)C.C1=CC(=CC=C1NC(=O)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(C(C1)N)C(C)C.C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O5.C10H21N/c13-9(5-6-10(14)15)11-7-1-3-8(4-2-7)12(16)17;1-7(2)9-5-4-8(3)6-10(9)11/h1-6H,(H,11,13)(H,14,15);7-10H,4-6,11H2,1-3H3/b6-5+;