(7-chloranyl-5-prop-2-enoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6-nitropyridin-3-yl)methanone

Systemtic Name: (7-chloranyl-5-prop-2-enoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6-nitropyridin-3-yl)methanone Openeye Name: (5-allyloxy-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6-nitro-3-pyridyl)methanone CAS Name: (7-chloro-5-prop-2-enoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6-nitro-3-pyridinyl)methanone IUPAC Name: (7-chloro-5-prop-2-enoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6-nitropyridin-3-yl)methanone Traditional Name: (5-allyloxy-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6-nitro-3-pyridyl)methanone Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCOC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O4/c1-2-10-27-17-4-3-9-22(16-7-6-14(20)11-15(16)17)19(24)13-5-8-18(21-12-13)23(25)26/h2,5-8,11-12,17H,1,3-4,9-10H2