(E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-8-nitro-4,5-dihydro-3H-2-benzazepin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-8-nitro-4,5-dihydro-3H-2-benzazepin-1-one Openeye Name: 3-(2-dimethylaminoethyl)-2-methyl-8-nitro-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-8-nitro-4,5-dihydro-3H-2-benzazepin-1-one IUPAC Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-8-nitro-4,5-dihydro-3H-2-benzazepin-1-one Traditional Name: 3-(2-dimethylaminoethyl)-2-methyl-8-nitro-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21N3O3.C4H4O4/c1-16(2)9-8-12-6-4-11-5-7-13(18(20)21)10-14(11)15(19)17(12)3;5-3(6)1-2-4(7)8/h5,7,10,12H,4,6,8-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+