(E)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-but-2-enoic acid; 2-propan-2-yloxan-4-amine

Systemtic Name: (E)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-but-2-enoic acid; 2-propan-2-yloxan-4-amine Openeye Name: 2-isopropyltetrahydropyran-4-amine; (E)-4-(3-nitroanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid; 2-propan-2-yl-4-oxanamine IUPAC Name: (E)-4-(3-nitroanilino)-4-oxobut-2-enoic acid; 2-propan-2-yloxan-4-amine Traditional Name: (2-isopropyltetrahydropyran-4-yl)amine; (E)-4-keto-4-(3-nitroanilino)but-2-enoic acid Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCO1)N.C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)C1CC(CCO1)N.C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C10H8N2O5.C8H17NO/c13-9(4-5-10(14)15)11-7-2-1-3-8(6-7)12(16)17;1-6(2)8-5-7(9)3-4-10-8/h1-6H,(H,11,13)(H,14,15);6-8H,3-5,9H2,1-2H3/b5-4+;