[(3S)-7-chloranyl-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]-cyclopropyl-methanone

Systemtic Name: [(3S)-7-chloranyl-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]-cyclopropyl-methanone Openeye Name: [(3S)-7-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]-cyclopropyl-methanone CAS Name: [(3S)-7-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]-cyclopropylmethanone IUPAC Name: [(3S)-7-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]-cyclopropylmethanone Traditional Name: [(3S)-7-chloro-3-methyl-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]-cyclopropyl-methanone Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=C(C=C2CN1C(=O)C3CC3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CNC2=C(C=C(C=C2CN1C(=O)C3CC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O3/c1-8-6-16-13-10(4-11(15)5-12(13)18(20)21)7-17(8)14(19)9-2-3-9/h4-5,8-9,16H,2-3,6-7H2,1H3/t8-/m0/s1